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Change type of viewer.shift #187

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merged 2 commits into from
Feb 5, 2025
Merged

Change type of viewer.shift #187

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989e11e
Shift has to be np.array for multiplication in _shift_quantity to work
Feb 4, 2025
32f73cb
Use np.multiply instead of *
Feb 5, 2025
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2 changes: 1 addition & 1 deletion src/py4vasp/_calculation/exciton_density.py
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Original file line number Diff line number Diff line change
Expand Up @@ -106,7 +106,7 @@ def to_view(self, selection=None, supercell=None, center=False, **user_options):
for selection in tree.selections()
]
if center:
viewer.shift = (0.5, 0.5, 0.5)
viewer.shift = np.array([0.5, 0.5, 0.5])
return viewer

def _create_map(self):
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3 changes: 2 additions & 1 deletion src/py4vasp/_third_party/view/view.py
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Expand Up @@ -251,7 +251,8 @@ def _show_isosurface(self, widget, trajectory):
def _shift_quantity(self, quantity):
if self.shift is None:
return quantity
shift_indices = np.round(quantity.shape * self.shift).astype(np.int32)
new_grid_center = np.multiply(quantity.shape, self.shift)
shift_indices = np.round(new_grid_center).astype(np.int32)
return np.roll(quantity, shift_indices, axis=(0, 1, 2))

def _show_arrows_at_atoms(self, widget, trajectory):
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